| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.6 | Very low | 62.8 | Low | 249 Ų | 249 | 187.4 Ų | 187.4 | 100% | 1.227 | 85% | 0.845 | S | S | * | * | 0 | 124.3 | 0 | -81.1 | 178.9 | 168.4 | 0 | 0 | 109 | |||||
| 2 | R | 59.8 | Low | 62.5 | Low | 254 Ų | 254 | 175.5 Ų | 175.5 | 96% | 0.958 | 81% | 0.813 | S | S | * | * | trans | -112.3 | 108.9 | -167 | -160.1 | 178.5 | 176.2 | -175.1 | -1.5 | 108.9 | ||||
| 3 | T | 65.6 | Low | 63 | Low | 133 Ų | 133 | 176.5 Ų | 176.5 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | trans | -95.8 | 107.6 | 175.3 | 49.3 | 0 | 0 | 0 | 0 | 109.6 | R5 | T3-R5 PolarHBondContact O-N 3.24Š| ||
| 4 | S | 64.2 | Low | 63 | Low | 108 Ų | 108 | 171.6 Ų | 171.6 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -68.1 | 113.4 | 170.5 | 164.1 | 0 | 0 | 0 | 0 | 108.8 | Q6 | S4-Q6 PolarHBondContact O-N 3.14Š| ||
| 5 | R | 52.6 | Low | 62.6 | Low | 242 Ų | 242 | 164.7 Ų | 164.7 | 91% | 0.913 | 77% | 0.772 | S | S | * | * | trans | -64 | 101.2 | 175.1 | -64 | 176.5 | 109.5 | 177.3 | 3.6 | 109 | T3 K7 | T3-R5 PolarHBondContact O-N 3.24Å; R5-K7 PolarHBondContact O-N 2.97Å; R5-K7 VanDerWaalsContact O-N 3.14Å | ||
| 6 | Q | 59.5 | Low | 62.9 | Low | 171 Ų | 171 | 163.6 Ų | 163.6 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | trans | -60.8 | 115.5 | 168.4 | -79.4 | -179.2 | -10 | 0 | 0 | 108.2 | S4 R8 | S4-Q6 PolarHBondContact O-N 3.14Å; Q6-R8 PolarHBondContact O-N 2.92Å | ||
| 7 | K | 68.1 | Low | 63 | Low | 196 Ų | 196 | 164.4 Ų | 164.4 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | trans | -63.7 | 98.9 | 177 | -162.9 | 179.9 | -172.4 | -177.5 | 0 | 108.1 | R5 | R5-K7 PolarHBondContact O-N 2.97Å; R5-K7 VanDerWaalsContact O-N 3.14Å | ||
| 8 | R | 64.1 | Low | 63.2 | Low | 203 Ų | 203 | 164.9 Ų | 164.9 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -73.7 | 135.2 | 174.2 | -71 | -172.8 | 162.9 | -155.2 | -5.2 | 108.5 | Q6 | Q6-R8 PolarHBondContact O-N 2.92Š| ||
| 9 | F | 68.5 | Low | 63.1 | Low | 113 Ų | 113 | 162.2 Ų | 162.2 | 50% | 0.496 | 77% | 0.774 | S | S | . | * | trans | -58.9 | 150.7 | 163 | -73.7 | -65.9 | 0 | 0 | 0 | 109.1 | D11 G12 T15 | F9-D11 PolarHBondContact O-N 2.98Å; F9-G12 PolarHBondContact O-N 3.22Å; F9-T15 HydrophobicContact CD2-CG2 4.34Å; F9-T15 WeakPolarHBondContact CD2-OG1 2.93Å; F9-T15 VanDerWaalsContact CE2-CB 3.45Å; F9-T15 HydrophobicContact CE2-CG2 3.39Å; F9-T15 WeakPolarHBondContact CE2-OG1 3.04Å; F9-T15 HydrophobicContact CZ-CG2 3.66Å | ||
| 10 | R | 69.5 | Low | 63.1 | Low | 247 Ų | 247 | 159 Ų | 159 | 93% | 0.932 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.4 | -30.2 | -176.5 | -169.1 | 178.9 | -171.2 | 179.4 | 1.6 | 112.2 | ||
| 11 | D | 74.1 | Confident | 62.9 | Low | 145 Ų | 145 | 155.9 Ų | 155.9 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 13 | -174.7 | -25.8 | -42.9 | 0 | 0 | 0 | 112.7 | F9 R13 | F9-D11 PolarHBondContact O-N 2.98Å; D11-R13 VanDerWaalsContact C-N 3.25Å; D11-R13 PolarHBondContact O-N 2.93Å |
| 12 | G | 59.9 | Low | 63.3 | Low | 45 Ų | 45 | 150.1 Ų | 150.1 | 46% | 0.464 | 74% | 0.741 | S | S | . | * | trans | 76.7 | 0.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | F9 | F9-G12 PolarHBondContact O-N 3.22Š| ||
| 13 | R | 68.4 | Low | 63.2 | Low | 189 Ų | 189 | 142.9 Ų | 142.9 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | trans | -67.5 | 128.6 | 178.7 | -162.2 | 172.2 | -175.5 | -179.6 | 1.2 | 110.4 | D11 T15 | D11-R13 VanDerWaalsContact C-N 3.25Å; D11-R13 PolarHBondContact O-N 2.93Å; R13-T15 PolarHBondContact O-N 3.06Å | ||
| 14 | P | 63.4 | Low | 62.7 | Low | 107 Ų | 107 | 140.3 Ų | 140.3 | 70% | 0.695 | 72% | 0.715 | S | S | * | * | trans | -61 | 123.6 | 172.7 | 23.7 | -31.6 | 0 | 0 | 0 | 109.5 | I16 | P14-I16 PolarHBondContact O-N 3.12Š| ||
| 15 | T | 57.1 | Low | 62.4 | Low | 69 Ų | 69 | 146 Ų | 146 | 42% | 0.423 | 72% | 0.72 | S | S | . | * | trans | -68.1 | 103.5 | 174.5 | -47.3 | 0 | 0 | 0 | 0 | 109.2 | F9 R13 K17 | F9-T15 HydrophobicContact CD2-CG2 4.34Å; F9-T15 WeakPolarHBondContact CD2-OG1 2.93Å; F9-T15 VanDerWaalsContact CE2-CB 3.45Å; F9-T15 HydrophobicContact CE2-CG2 3.39Å; F9-T15 WeakPolarHBondContact CE2-OG1 3.04Å; F9-T15 HydrophobicContact CZ-CG2 3.66Å; R13-T15 PolarHBondContact O-N 3.06Å; T15-K17 PolarHBondContact O-N 3.21Å | ||
| 16 | I | 66.5 | Low | 62.6 | Low | 147 Ų | 147 | 144.2 Ų | 144.2 | 75% | 0.754 | 71% | 0.713 | S | S | * | * | trans | -67 | 116.9 | 167.9 | -59.1 | 172.6 | 0 | 0 | 0 | 106.4 | P14 L18 | P14-I16 PolarHBondContact O-N 3.12Å; I16-L18 PolarHBondContact O-N 2.86Å; I16-L18 VanDerWaalsContact O-N 3.17Å | ||
| 17 | K | 64.5 | Low | 62.7 | Low | 176 Ų | 176 | 145.4 Ų | 145.4 | 77% | 0.765 | 72% | 0.716 | S | S | * | * | trans | -62.4 | 117.9 | 171.9 | -65.2 | -178.4 | -178.3 | 178.9 | 0 | 107.3 | T15 T19 | T15-K17 PolarHBondContact O-N 3.21Å; K17-T19 PolarHBondContact O-N 3.17Å | ||
| 18 | L | 67.9 | Low | 62.3 | Low | 175 Ų | 175 | 143.3 Ų | 143.3 | 92% | 0.916 | 71% | 0.713 | S | S | * | * | trans | -66.1 | 85 | 160 | -82.3 | 153.1 | 0 | 0 | 0 | 106.6 | I16 S20 | I16-L18 PolarHBondContact O-N 2.86Å; I16-L18 VanDerWaalsContact O-N 3.17Å; L18-S20 PolarHBondContact O-N 2.75Å; L18-S20 VanDerWaalsContact O-N 3.12Å | ||
| 19 | T | 60.6 | Low | 62 | Low | 112 Ų | 112 | 138 Ų | 138 | 69% | 0.687 | 71% | 0.707 | S | S | * | * | trans | -65.8 | 109.8 | 161.2 | 47.9 | 0 | 0 | 0 | 0 | 105.6 | K17 P21 | K17-T19 PolarHBondContact O-N 3.17Å; T19-P21 WeakPolarHBondContact O-CD 3.19Å | ||
| 20 | S | 62.7 | Low | 61.5 | Low | 98 Ų | 98 | 138.4 Ų | 138.4 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | trans | -48.4 | 113.1 | 156.9 | 18.1 | 0 | 0 | 0 | 0 | 105.5 | L18 T22 | L18-S20 PolarHBondContact O-N 2.75Å; L18-S20 VanDerWaalsContact O-N 3.12Å; S20-T22 PolarHBondContact O-N 2.63Å | ||
| 21 | P | 59.1 | Low | 60.6 | Low | 95 Ų | 95 | 137.9 Ų | 137.9 | 62% | 0.617 | 72% | 0.722 | S | S | * | * | trans | -72.2 | 91.3 | 179.5 | 31.6 | -33.2 | 0 | 0 | 0 | 104.9 | T19 S23 P24 | T19-P21 WeakPolarHBondContact O-CD 3.19Å; P21-S23 VanDerWaalsContact C-N 3.27Å; P21-S23 PolarHBondContact O-N 2.84Å; P21-P24 HydrophobicContact CB-CG 3.96Å | ||
| 22 | T | 52.6 | Low | 59.6 | Low | 128 Ų | 128 | 140.1 Ų | 140.1 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -54.5 | 103.8 | 162.5 | -60.2 | 0 | 0 | 0 | 0 | 104.8 | S20 | S20-T22 PolarHBondContact O-N 2.63Š|
| 23 | S | 57.4 | Low | 59.3 | Low | 102 Ų | 102 | 141.8 Ų | 141.8 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | 25.8 | 82.9 | 178.6 | -57 | 0 | 0 | 0 | 0 | 111.8 | P21 R25 | P21-S23 VanDerWaalsContact C-N 3.27Å; P21-S23 PolarHBondContact O-N 2.84Å; S23-R25 PolarHBondContact O-N 3.2Å | ||
| 24 | P | 55.7 | Low | 58.6 | Low | 78 Ų | 78 | 141.2 Ų | 141.2 | 51% | 0.506 | 74% | 0.741 | S | S | . | * | trans | -63.1 | 93.2 | 165.2 | 28.3 | -24.6 | 0 | 0 | 0 | 103.1 | P21 W26 | P21-P24 HydrophobicContact CB-CG 3.96Å; P24-W26 PolarHBondContact O-N 2.69Å | ||
| 25 | R | 57.7 | Low | 57.9 | Low | 229 Ų | 229 | 141.7 Ų | 141.7 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | trans | -62.8 | 97.9 | 174.2 | 178.9 | 169.7 | 168.4 | 166 | -4.2 | 101.6 | S23 K27 | S23-R25 PolarHBondContact O-N 3.2Å; R25-K27 PolarHBondContact O-N 2.75Å | ||
| 26 | W | 58.1 | Low | 57.9 | Low | 203 Ų | 203 | 144.1 Ų | 144.1 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | -52.9 | 103.2 | 178.1 | -63 | -10.3 | 0 | 0 | 0 | 103.5 | P24 L28 | P24-W26 PolarHBondContact O-N 2.69Å; W26-L28 VanDerWaalsContact C-N 3.29Å; W26-L28 PolarHBondContact O-N 2.9Å | ||
| 27 | K | 60 | Low | 57.3 | Low | 197 Ų | 197 | 141.4 Ų | 141.4 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | trans | -58.9 | 111.4 | 167.5 | -80.5 | -175.9 | 176.4 | -179.2 | 0 | 101.2 | R25 S29 | R25-K27 PolarHBondContact O-N 2.75Å; K27-S29 PolarHBondContact O-N 2.69Å | ||
| 28 | L | 60.2 | Low | 56.8 | Low | 152 Ų | 152 | 134.8 Ų | 134.8 | 80% | 0.796 | 73% | 0.734 | S | S | * | * | trans | -59.7 | 88.4 | 167.3 | -76.9 | 163 | 0 | 0 | 0 | 104.7 | W26 S30 | W26-L28 VanDerWaalsContact C-N 3.29Å; W26-L28 PolarHBondContact O-N 2.9Å; L28-S30 PolarHBondContact O-N 3.22Å | ||
| 29 | S | 57.6 | Low | 56.3 | Low | 91 Ų | 91 | 131.7 Ų | 131.7 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | trans | -62.3 | 123.3 | 164.8 | 54.4 | 0 | 0 | 0 | 0 | 104.4 | K27 R31 | K27-S29 PolarHBondContact O-N 2.69Å; S29-R31 PolarHBondContact O-N 2.86Å | ||
| 30 | S | 59.3 | Low | 56 | Low | 121 Ų | 121 | 129.4 Ų | 129.4 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -50.4 | 109 | 169.4 | -170.1 | 0 | 0 | 0 | 0 | 107.9 | L28 | L28-S30 PolarHBondContact O-N 3.22Š|
| 31 | R | 50 | Low | 55.8 | Low | 236 Ų | 236 | 131.2 Ų | 131.2 | 89% | 0.891 | 72% | 0.723 | S | S | * | * | trans | 58.4 | 88.2 | 156.7 | -152.2 | -179.2 | -144.7 | -163 | 4.6 | 116.9 | S29 | S29-R31 PolarHBondContact O-N 2.86Š| ||
| 32 | K | 53.8 | Low | 55.9 | Low | 193 Ų | 193 | 131 Ų | 131 | 84% | 0.839 | 72% | 0.716 | S | S | * | * | trans | -149.6 | 128.1 | 139.4 | -133.2 | 164.2 | -177.4 | 173.4 | 0 | 108.7 | ||||
| 33 | G | 53.3 | Low | 56.4 | Low | 79 Ų | 79 | 129.3 Ų | 129.3 | 81% | 0.814 | 72% | 0.716 | S | S | * | * | trans | -54.7 | 141.4 | -163.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S35 | G33-S35 PolarHBondContact O-N 3.02Š| ||
| 34 | Y | 53.2 | Low | 56.5 | Low | 177 Ų | 177 | 129 Ų | 129 | 69% | 0.694 | 71% | 0.714 | S | S | * | * | trans | -69.4 | 116.9 | 167.9 | -64.2 | -80.5 | 0 | 0 | 0 | 108 | L36 | Y34-L36 PolarHBondContact O-N 3.24Å; Y34-L36 VanDerWaalsContact O-N 3.12Å | ||
| 35 | S | 48 | Very low | 56.5 | Low | 118 Ų | 118 | 127.7 Ų | 127.7 | 83% | 0.825 | 70% | 0.702 | S | S | * | * | trans | -63.7 | 112.5 | 174.4 | -171.1 | 0 | 0 | 0 | 0 | 108.4 | G33 A37 | G33-S35 PolarHBondContact O-N 3.02Å; S35-A37 PolarHBondContact O-N 3.32Å | ||
| 36 | L | 57.3 | Low | 57 | Low | 120 Ų | 120 | 125.4 Ų | 125.4 | 63% | 0.628 | 69% | 0.693 | S | S | * | * | trans | -67.3 | 101.5 | 173.5 | -70.1 | 154.5 | 0 | 0 | 0 | 107.1 | Y34 A38 F57 | Y34-L36 PolarHBondContact O-N 3.24Å; Y34-L36 VanDerWaalsContact O-N 3.12Å; L36-A38 PolarHBondContact O-N 3.21Å; L36-F57 HydrophobicContact CD1-CD1 4.35Å; L36-F57 HydrophobicContact CD1-CE1 3.38Å; L36-F57 HydrophobicContact CD1-CZ 3.95Å; L36-F57 HydrophobicContact CD2-CE1 3.84Å; L36-F57 HydrophobicContact CD2-CZ 3.91Å; L36-F57 HydrophobicContact CG-CE1 4.21Å; L36-F57 HydrophobicContact CG-CZ 4.44Å | ||
| 37 | A | 54 | Low | 57.5 | Low | 89 Ų | 89 | 124.1 Ų | 124.1 | 74% | 0.736 | 69% | 0.689 | S | S | * | * | trans | -70.4 | 61 | 168 | 0 | 0 | 0 | 0 | 0 | 109.8 | S35 S39 | S35-A37 PolarHBondContact O-N 3.32Å; A37-S39 VanDerWaalsContact C-N 3.32Å | ||
| 38 | A | 55.6 | Low | 57.4 | Low | 38 Ų | 38 | 118.2 Ų | 118.2 | 31% | 0.314 | 67% | 0.672 | S | S | . | * | trans | -83.1 | -10.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L36 G40 Q41 L42 | L36-A38 PolarHBondContact O-N 3.21Å; A38-G40 VanDerWaalsContact C-N 3.32Å; A38-G40 PolarHBondContact O-N 3.01Å; A38-Q41 PolarHBondContact O-N 2.76Å; A38-L42 WeakPolarHBondContact O-CB 3.07Å; A38-L42 PolarHBondContact O-N 3.26Å | ||
| 39 | S | 55.7 | Low | 57.5 | Low | 110 Ų | 110 | 114.9 Ų | 114.9 | 77% | 0.769 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -59.6 | -36 | -169.8 | -56.5 | 0 | 0 | 0 | 0 | 114.2 | A37 | A37-S39 VanDerWaalsContact C-N 3.32Å |
| 40 | G | 55.6 | Low | 57.7 | Low | 64 Ų | 64 | 112.4 Ų | 112.4 | 66% | 0.66 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -82.8 | -30.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A38 | A38-G40 VanDerWaalsContact C-N 3.32Å; A38-G40 PolarHBondContact O-N 3.01Å |
| 41 | Q | 58.4 | Low | 57.9 | Low | 135 Ų | 135 | 109.9 Ų | 109.9 | 63% | 0.631 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -85.3 | -32.3 | -178 | -69.3 | -176.3 | 42.5 | 0 | 0 | 112 | A38 A43 S44 M45 | A38-Q41 PolarHBondContact O-N 2.76Å; Q41-A43 VanDerWaalsContact C-N 3.29Å; Q41-A43 PolarHBondContact O-N 3.12Å; Q41-S44 PolarHBondContact O-N 3.49Å; Q41-S44 PolarHBondContact O-OG 2.81Å; Q41-M45 WeakPolarHBondContact O-CG 3.36Å; Q41-M45 PolarHBondContact O-N 3.48Å |
| 42 | L | 60.9 | Low | 58.5 | Low | 90 Ų | 90 | 102.6 Ų | 102.6 | 47% | 0.471 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.8 | -33.9 | -179.1 | -159.5 | 76.4 | 0 | 0 | 0 | 112.3 | A38 S44 M45 L50 | A38-L42 WeakPolarHBondContact O-CB 3.07Å; A38-L42 PolarHBondContact O-N 3.26Å; L42-S44 VanDerWaalsContact C-N 3.3Å; L42-S44 PolarHBondContact O-N 2.97Å; L42-M45 PolarHBondContact O-N 3.47Å; L42-L50 HydrophobicContact CB-CD2 4.48Å; L42-L50 HydrophobicContact CD1-CD2 3.2Å; L42-L50 HydrophobicContact CG-CD2 3.52Å; L42-L50 WeakPolarHBondContact O-CD2 3.35Å |
| 43 | A | 62.9 | Low | 58.9 | Low | 94 Ų | 94 | 95.7 Ų | 95.7 | 78% | 0.777 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -26.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q41 | Q41-A43 VanDerWaalsContact C-N 3.29Å; Q41-A43 PolarHBondContact O-N 3.12Å |
| 44 | S | 59.4 | Low | 59.3 | Low | 95 Ų | 95 | 97.9 Ų | 97.9 | 66% | 0.664 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | -10.3 | -178.6 | 47.9 | 0 | 0 | 0 | 0 | 113.7 | Q41 L42 | Q41-S44 PolarHBondContact O-N 3.49Å; Q41-S44 PolarHBondContact O-OG 2.81Å; L42-S44 VanDerWaalsContact C-N 3.3Å; L42-S44 PolarHBondContact O-N 2.97Å |
| 45 | M | 55.6 | Low | 59.6 | Low | 51 Ų | 51 | 94.2 Ų | 94.2 | 25% | 0.251 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -70.5 | 135.6 | -178.9 | -83 | 179.8 | 150 | 0 | 0 | 111.4 | Q41 L42 E49 L50 N53 | Q41-M45 WeakPolarHBondContact O-CG 3.36Å; Q41-M45 PolarHBondContact O-N 3.48Å; L42-M45 PolarHBondContact O-N 3.47Å; M45-E49 WeakPolarHBondContact CA-OE2 3.4Å; M45-E49 HydrophobicContact CB-CB 3.95Å; M45-E49 HydrophobicContact CG-CB 4.1Å; M45-E49 WeakPolarHBondContact CG-OE2 3.38Å; M45-E49 HydrophobicContact SD-CB 4.47Å; M45-L50 HydrophobicContact CB-CD2 3.67Å; M45-L50 HydrophobicContact CB-CG 3.97Å; M45-N53 WeakPolarHBondContact CE-ND2 3.35Å; M45-N53 PolarHBondContact SD-ND2 3.47Å |
| 46 | R | 67.7 | Low | 60.2 | Low | 181 Ų | 181 | 91.7 Ų | 91.7 | 68% | 0.683 | 52% | 0.521 | S | S | * | . | trans | -60.8 | 151.8 | 172.2 | -61.4 | -68.7 | -174.9 | 157.7 | 0 | 109 | S48 E49 L50 | R46-S48 PolarHBondContact O-N 3.24Å; R46-S48 VanDerWaalsContact O-N 3.1Å; R46-E49 HydrophobicContact CB-CG 4.15Å; R46-E49 WeakPolarHBondContact CG-OE1 3.34Å; R46-E49 PolarHBondContact N-OE2 2.89Å; R46-E49 CarbonylContact O-C 3.59Å; R46-E49 WeakPolarHBondContact O-CA 3.29Å; R46-E49 WeakPolarHBondContact O-CB 3.5Å; R46-E49 PolarHBondContact O-N 3.07Å; R46-L50 PolarHBondContact O-N 3.36Å | ||
| 47 | Y | 69.8 | Low | 60.2 | Low | 176 Ų | 176 | 90.5 Ų | 90.5 | 69% | 0.69 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -52.8 | -36.7 | 179.4 | -176.3 | -100.7 | 0 | 0 | 0 | 112.6 | L50 Q51 | Y47-L50 PolarHBondContact O-N 3.46Å; Y47-Q51 HydrophobicContact CE1-CG 4.34Å; Y47-Q51 VanDerWaalsContact CZ-NE2 3.35Å; Y47-Q51 WeakPolarHBondContact O-CG 3.32Å; Y47-Q51 PolarHBondContact O-N 3.37Å; Y47-Q51 VanDerWaalsContact O-N 3.16Å; Y47-Q51 PolarHBondContact OH-NE2 3.47Å |
| 48 | S | 58.2 | Low | 60.1 | Low | 72 Ų | 72 | 90.4 Ų | 90.4 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 172.8 | 51.6 | 0 | 0 | 0 | 0 | 113.1 | R46 Q51 V52 | R46-S48 PolarHBondContact O-N 3.24Å; R46-S48 VanDerWaalsContact O-N 3.1Å; S48-Q51 PolarHBondContact O-N 2.83Å; S48-V52 WeakPolarHBondContact O-CG2 3.49Å; S48-V52 PolarHBondContact O-N 3.33Å; S48-V52 VanDerWaalsContact O-N 3.11Å |
| 49 | E | 62.1 | Low | 59.8 | Low | 82 Ų | 82 | 93 Ų | 93 | 38% | 0.383 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.8 | -37.3 | 177 | -64.7 | 165.5 | -157.5 | 0 | 0 | 111.5 | M45 R46 Q51 V52 N53 | M45-E49 WeakPolarHBondContact CA-OE2 3.4Å; M45-E49 HydrophobicContact CB-CB 3.95Å; M45-E49 HydrophobicContact CG-CB 4.1Å; M45-E49 WeakPolarHBondContact CG-OE2 3.38Å; M45-E49 HydrophobicContact SD-CB 4.47Å; R46-E49 HydrophobicContact CB-CG 4.15Å; R46-E49 WeakPolarHBondContact CG-OE1 3.34Å; R46-E49 PolarHBondContact N-OE2 2.89Å; R46-E49 CarbonylContact O-C 3.59Å; R46-E49 WeakPolarHBondContact O-CA 3.29Å; R46-E49 WeakPolarHBondContact O-CB 3.5Å; R46-E49 PolarHBondContact O-N 3.07Å; E49-Q51 VanDerWaalsContact C-N 3.32Å; E49-Q51 PolarHBondContact O-N 2.78Å; E49-V52 PolarHBondContact O-N 3.11Å; E49-N53 WeakPolarHBondContact O-CB 3.43Å; E49-N53 PolarHBondContact O-N 3.46Å; E49-N53 PolarHBondContact O-ND2 3.19Å |
| 50 | L | 61.9 | Low | 59.9 | Low | 40 Ų | 40 | 94.2 Ų | 94.2 | 21% | 0.209 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 174.8 | -67.7 | 179.1 | 0 | 0 | 0 | 111.6 | L42 M45 R46 Y47 N53 Q54 | L42-L50 HydrophobicContact CB-CD2 4.48Å; L42-L50 HydrophobicContact CD1-CD2 3.2Å; L42-L50 HydrophobicContact CG-CD2 3.52Å; L42-L50 WeakPolarHBondContact O-CD2 3.35Å; M45-L50 HydrophobicContact CB-CD2 3.67Å; M45-L50 HydrophobicContact CB-CG 3.97Å; R46-L50 PolarHBondContact O-N 3.36Å; Y47-L50 PolarHBondContact O-N 3.46Å; L50-N53 PolarHBondContact O-N 2.82Å; L50-Q54 WeakPolarHBondContact O-CB 3.34Å; L50-Q54 VanDerWaalsContact O-CG 3.28Å; L50-Q54 WeakPolarHBondContact O-CG 3.47Å; L50-Q54 PolarHBondContact O-N 3.43Å |
| 51 | Q | 62.6 | Low | 59.9 | Low | 68 Ų | 68 | 98.6 Ų | 98.6 | 32% | 0.318 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.1 | -44 | 177.5 | -70.7 | -176.9 | -21.9 | 0 | 0 | 111.5 | Y47 S48 E49 N53 Q54 I55 | Y47-Q51 HydrophobicContact CE1-CG 4.34Å; Y47-Q51 VanDerWaalsContact CZ-NE2 3.35Å; Y47-Q51 WeakPolarHBondContact O-CG 3.32Å; Y47-Q51 PolarHBondContact O-N 3.37Å; Y47-Q51 VanDerWaalsContact O-N 3.16Å; Y47-Q51 PolarHBondContact OH-NE2 3.47Å; S48-Q51 PolarHBondContact O-N 2.83Å; E49-Q51 VanDerWaalsContact C-N 3.32Å; E49-Q51 PolarHBondContact O-N 2.78Å; Q51-N53 PolarHBondContact O-N 3.26Å; Q51-Q54 PolarHBondContact O-N 2.93Å; Q51-I55 WeakPolarHBondContact O-CD1 3.14Å; Q51-I55 VanDerWaalsContact O-CG1 3.22Å; Q51-I55 WeakPolarHBondContact O-CG1 3.3Å; Q51-I55 PolarHBondContact O-N 3.31Å |
| 52 | V | 63.9 | Low | 59.6 | Low | 83 Ų | 83 | 95.6 Ų | 95.6 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 177.2 | 175.8 | 0 | 0 | 0 | 0 | 111 | S48 E49 Q54 I55 V56 | S48-V52 WeakPolarHBondContact O-CG2 3.49Å; S48-V52 PolarHBondContact O-N 3.33Å; S48-V52 VanDerWaalsContact O-N 3.11Å; E49-V52 PolarHBondContact O-N 3.11Å; V52-Q54 PolarHBondContact O-N 3.45Å; V52-I55 WeakPolarHBondContact O-CB 3.34Å; V52-I55 PolarHBondContact O-N 3.32Å; V52-V56 HydrophobicContact CG1-CG2 4.26Å; V52-V56 VanDerWaalsContact O-CG2 3.29Å; V52-V56 WeakPolarHBondContact O-CG2 3.38Å; V52-V56 PolarHBondContact O-N 2.86Å |
| 53 | N | 60.4 | Low | 59.1 | Low | 48 Ų | 48 | 94 Ų | 94 | 26% | 0.257 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 177.8 | -74.2 | -62.8 | 0 | 0 | 0 | 111.9 | M45 E49 L50 Q51 I55 V56 F57 | M45-N53 WeakPolarHBondContact CE-ND2 3.35Å; M45-N53 PolarHBondContact SD-ND2 3.47Å; E49-N53 WeakPolarHBondContact O-CB 3.43Å; E49-N53 PolarHBondContact O-N 3.46Å; E49-N53 PolarHBondContact O-ND2 3.19Å; L50-N53 PolarHBondContact O-N 2.82Å; Q51-N53 PolarHBondContact O-N 3.26Å; N53-I55 VanDerWaalsContact C-N 3.31Å; N53-I55 PolarHBondContact O-N 2.76Å; N53-V56 PolarHBondContact O-N 3.23Å; N53-F57 WeakPolarHBondContact O-CB 3.32Å; N53-F57 WeakPolarHBondContact O-CD2 3.43Å; N53-F57 PolarHBondContact O-N 3.31Å |
| 54 | Q | 62.3 | Low | 58.6 | Low | 125 Ų | 125 | 97.2 Ų | 97.2 | 58% | 0.584 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.5 | -43.2 | 172.3 | -73.8 | 178.9 | 23.5 | 0 | 0 | 111.5 | L50 Q51 V52 F57 V58 | L50-Q54 WeakPolarHBondContact O-CB 3.34Å; L50-Q54 VanDerWaalsContact O-CG 3.28Å; L50-Q54 WeakPolarHBondContact O-CG 3.47Å; L50-Q54 PolarHBondContact O-N 3.43Å; Q51-Q54 PolarHBondContact O-N 2.93Å; V52-Q54 PolarHBondContact O-N 3.45Å; Q54-F57 PolarHBondContact O-N 3.02Å; Q54-V58 VanDerWaalsContact O-CG2 3.3Å; Q54-V58 WeakPolarHBondContact O-CG2 3.2Å; Q54-V58 PolarHBondContact O-N 3.49Å |
| 55 | I | 59.9 | Low | 58.3 | Low | 99 Ų | 99 | 102.7 Ų | 102.7 | 51% | 0.508 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.3 | -49.9 | 175.1 | -67.3 | 162.1 | 0 | 0 | 0 | 110 | Q51 V52 N53 F57 V58 V59 | Q51-I55 WeakPolarHBondContact O-CD1 3.14Å; Q51-I55 VanDerWaalsContact O-CG1 3.22Å; Q51-I55 WeakPolarHBondContact O-CG1 3.3Å; Q51-I55 PolarHBondContact O-N 3.31Å; V52-I55 WeakPolarHBondContact O-CB 3.34Å; V52-I55 PolarHBondContact O-N 3.32Å; N53-I55 VanDerWaalsContact C-N 3.31Å; N53-I55 PolarHBondContact O-N 2.76Å; I55-F57 VanDerWaalsContact C-N 3.3Å; I55-F57 PolarHBondContact O-N 3.46Å; I55-V58 PolarHBondContact O-N 3.38Å; I55-V59 HydrophobicContact CG2-CG2 4.17Å; I55-V59 WeakPolarHBondContact O-CB 3.49Å; I55-V59 WeakPolarHBondContact O-CG2 3.28Å; I55-V59 PolarHBondContact O-N 2.97Å |
| 56 | V | 60.2 | Low | 58.1 | Low | 65 Ų | 65 | 110.9 Ų | 110.9 | 39% | 0.394 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 178.8 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | V52 N53 V59 L60 | V52-V56 HydrophobicContact CG1-CG2 4.26Å; V52-V56 VanDerWaalsContact O-CG2 3.29Å; V52-V56 WeakPolarHBondContact O-CG2 3.38Å; V52-V56 PolarHBondContact O-N 2.86Å; N53-V56 PolarHBondContact O-N 3.23Å; V56-V59 PolarHBondContact O-N 3.16Å; V56-L60 HydrophobicContact CG1-CD1 3.68Å; V56-L60 HydrophobicContact CG1-CG 4.18Å; V56-L60 WeakPolarHBondContact O-CB 3.46Å; V56-L60 WeakPolarHBondContact O-CG 3.22Å; V56-L60 PolarHBondContact O-N 2.92Å |
| 57 | F | 57.3 | Low | 56.9 | Low | 95 Ų | 95 | 108 Ų | 108 | 42% | 0.417 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 176 | -97.8 | -71.7 | 0 | 0 | 0 | 111.8 | L36 N53 Q54 I55 V59 H61 | L36-F57 HydrophobicContact CD1-CD1 4.35Å; L36-F57 HydrophobicContact CD1-CE1 3.38Å; L36-F57 HydrophobicContact CD1-CZ 3.95Å; L36-F57 HydrophobicContact CD2-CE1 3.84Å; L36-F57 HydrophobicContact CD2-CZ 3.91Å; L36-F57 HydrophobicContact CG-CE1 4.21Å; L36-F57 HydrophobicContact CG-CZ 4.44Å; N53-F57 WeakPolarHBondContact O-CB 3.32Å; N53-F57 WeakPolarHBondContact O-CD2 3.43Å; N53-F57 PolarHBondContact O-N 3.31Å; Q54-F57 PolarHBondContact O-N 3.02Å; I55-F57 VanDerWaalsContact C-N 3.3Å; I55-F57 PolarHBondContact O-N 3.46Å; F57-V59 VanDerWaalsContact C-N 3.33Å; F57-H61 WeakPolarHBondContact O-CB 3.19Å; F57-H61 PolarHBondContact O-N 3.43Å |
| 58 | V | 51.6 | Low | 55.8 | Low | 87 Ų | 87 | 104.8 Ų | 104.8 | 53% | 0.527 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 177.2 | 175 | 0 | 0 | 0 | 0 | 110.7 | Q54 I55 H61 N62 | Q54-V58 VanDerWaalsContact O-CG2 3.3Å; Q54-V58 WeakPolarHBondContact O-CG2 3.2Å; Q54-V58 PolarHBondContact O-N 3.49Å; I55-V58 PolarHBondContact O-N 3.38Å; V58-H61 PolarHBondContact O-N 2.94Å; V58-N62 VanDerWaalsContact O-CB 3.32Å; V58-N62 WeakPolarHBondContact O-CB 3.39Å; V58-N62 PolarHBondContact O-N 3.1Å |
| 59 | V | 50.5 | Low | 55.1 | Low | 94 Ų | 94 | 110.2 Ų | 110.2 | 57% | 0.57 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.6 | -48.3 | 178.6 | 169.2 | 0 | 0 | 0 | 0 | 111.7 | I55 V56 F57 H61 G63 | I55-V59 HydrophobicContact CG2-CG2 4.17Å; I55-V59 WeakPolarHBondContact O-CB 3.49Å; I55-V59 WeakPolarHBondContact O-CG2 3.28Å; I55-V59 PolarHBondContact O-N 2.97Å; V56-V59 PolarHBondContact O-N 3.16Å; F57-V59 VanDerWaalsContact C-N 3.33Å; V59-H61 VanDerWaalsContact C-N 3.35Å; V59-G63 PolarHBondContact O-N 3.39Å |
| 60 | L | 57.1 | Low | 54 | Low | 135 Ų | 135 | 112.8 Ų | 112.8 | 71% | 0.707 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.3 | -42 | 177.5 | -78.3 | 168.7 | 0 | 0 | 0 | 111.4 | V56 | V56-L60 HydrophobicContact CG1-CD1 3.68Å; V56-L60 HydrophobicContact CG1-CG 4.18Å; V56-L60 WeakPolarHBondContact O-CB 3.46Å; V56-L60 WeakPolarHBondContact O-CG 3.22Å; V56-L60 PolarHBondContact O-N 2.92Å |
| 61 | H | 54.7 | Low | 53.4 | Low | 155 Ų | 155 | 116.3 Ų | 116.3 | 72% | 0.718 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72 | -35.4 | -176 | -171.6 | -95.2 | 0 | 0 | 0 | 112.6 | F57 V58 V59 | F57-H61 WeakPolarHBondContact O-CB 3.19Å; F57-H61 PolarHBondContact O-N 3.43Å; V58-H61 PolarHBondContact O-N 2.94Å; V59-H61 VanDerWaalsContact C-N 3.35Å |
| 62 | N | 52.6 | Low | 52.6 | Low | 73 Ų | 73 | 117.7 Ų | 117.7 | 39% | 0.39 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -105.8 | 9 | -166.4 | -67.9 | -24.9 | 0 | 0 | 0 | 116 | V58 | V58-N62 VanDerWaalsContact O-CB 3.32Å; V58-N62 WeakPolarHBondContact O-CB 3.39Å; V58-N62 PolarHBondContact O-N 3.1Å |
| 63 | G | 50.8 | Low | 51.5 | Low | 56 Ų | 56 | 119.1 Ų | 119.1 | 58% | 0.577 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.3 | 71.9 | 166 | 0 | 0 | 0 | 0 | 0 | 113.7 | V59 R65 | V59-G63 PolarHBondContact O-N 3.39Å; G63-R65 PolarHBondContact O-N 3.23Å |
| 64 | I | 51.3 | Low | 50.3 | Low | 162 Ų | 162 | 123 Ų | 123 | 83% | 0.831 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 47.7 | 65.2 | 172.3 | -42.7 | 175.4 | 0 | 0 | 0 | 113.4 | ||
| 65 | R | 53.6 | Low | 49.3 | Very low | 209 Ų | 209 | 127.2 Ų | 127.2 | 79% | 0.789 | 67% | 0.674 | S | S | * | * | trans | -114.3 | 85.2 | 157.2 | -73.9 | -174.4 | -87.8 | -146.2 | -1.4 | 108.6 | G63 | G63-R65 PolarHBondContact O-N 3.23Š| ||
| 66 | R | 51.3 | Low | 48.1 | Very low | 223 Ų | 223 | 133.2 Ų | 133.2 | 84% | 0.842 | 71% | 0.707 | S | S | * | * | trans | 5.8 | 121.8 | 160 | -61.7 | -166 | -165.4 | -165.6 | 5.5 | 117 | ||||
| 67 | V | 43.4 | Very low | 47.5 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | trans | 46.4 | 114.6 | 132.2 | -145.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 68 | N | 46.7 | Very low | 47 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 58% | 0.583 | 74% | 0.738 | S | S | * | * | 179 | 115 | 76.7 | -84.8 | 61.7 | 0 | 0 | 0 | 107.4 | |||||
| 69 | M | 43.3 | Very low | 46.8 | Very low | 186 Ų | 186 | 141.7 Ų | 141.7 | 92% | 0.916 | 75% | 0.75 | S | S | * | * | trans | -127.2 | 96.7 | 134.4 | -88.6 | 86.4 | 179.4 | 0 | 0 | 104.6 | ||||
| 70 | L | 39.9 | Very low | 46.5 | Very low | 136 Ų | 136 | 144.5 Ų | 144.5 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | trans | -48.4 | 140 | 165.7 | -85 | 112.7 | 0 | 0 | 0 | 108.1 | S72 | L70-S72 PolarHBondContact O-N 3.11Å; L70-S72 VanDerWaalsContact O-N 3.11Å | ||
| 71 | P | 47.9 | Very low | 45.9 | Very low | 114 Ų | 114 | 145.1 Ų | 145.1 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | trans | -49.6 | 124.4 | 172 | 23.4 | -33.2 | 0 | 0 | 0 | 107.4 | S73 | P71-S73 PolarHBondContact O-N 2.92Š| ||
| 72 | S | 45.6 | Very low | 45.3 | Very low | 96 Ų | 96 | 144.4 Ų | 144.4 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | trans | -54.2 | 115.4 | 172.3 | 57 | 0 | 0 | 0 | 0 | 106.1 | L70 T74 | L70-S72 PolarHBondContact O-N 3.11Å; L70-S72 VanDerWaalsContact O-N 3.11Å; S72-T74 PolarHBondContact O-N 3Å | ||
| 73 | S | 41.2 | Very low | 44.8 | Very low | 114 Ų | 114 | 149.5 Ų | 149.5 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -42.9 | 116.8 | 176.3 | -176.3 | 0 | 0 | 0 | 0 | 109 | P71 | P71-S73 PolarHBondContact O-N 2.92Š| ||
| 74 | T | 35.4 | Very low | 44.3 | Very low | 128 Ų | 128 | 156.7 Ų | 156.7 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -49.5 | 146.6 | 157 | 31.2 | 0 | 0 | 0 | 0 | 110 | S72 | S72-T74 PolarHBondContact O-N 3Š| ||
| 75 | F | 41.4 | Very low | 43.7 | Very low | 214 Ų | 214 | 156.3 Ų | 156.3 | 94% | 0.939 | 81% | 0.809 | S | S | * | * | trans | -31.7 | 128.6 | 175.1 | -107.5 | -110.5 | 0 | 0 | 0 | 115.3 | ||||
| 76 | N | 35.3 | Very low | 42.8 | Very low | 225 Ų | 225 | 151.5 Ų | 151.5 | 100% | 1.203 | 81% | 0.811 | S | S | * | * | trans | -134.9 | 0 | 138.3 | -169.3 | 51.1 | 0 | 0 | 0 | 108.2 |
Retrieved 76 of 76 residues in 50.1 ms
(Link to these results)